The gauche conformer is about 58 K lower
than the anti conformer and is doubly degenerate
with respect to the latter. It has no symmetry (C1)
30 vibrational modes with v29 = 1 being
second lowest in energy. The transition frequencies were
taken from
(1) H. S. P. Müller, A. Walters, N. Wehres, A. Belloche,
O. H. Wilkins, D. Liu, R. Vicente, R. T. Garrod, K. M. Menten,
F. Lewen, and S. Schlemmer,
2016, Astron. Astrophys., 595 Art. No. A87.
14N hyperfine splitting as well as CH3
are unlikely to be resolved in astronomical observations.
The predictions may be sufficient for astronomical observations,
but should be viewed with caution if the uncertainties are
larger than 0.3 MHz.
Note: the statistical weight of the anti and gauche
conformers is 1 : 2 because of symmetry.
We have estimated vibrational corrections in the harmonic
oscillator approximation using fundamental vibrations
of the gauche-conformer from
(2) J. R. Durig, B. R. Drew, A. Komer, and S. Bell,
2001, Phys. Chem. Chem. Phys., 3 766,
as commented in (1).
Additional information on
vibrational states is also available.
The dipole moment components were assumed to agree with those
in the ground vibrational state of the respective conformer,
see e069505.cat.
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